2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol

C8H10F3NO2 — CID 141299344

IUPAC2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol
SMILESCC1NC=C(C(O)C(F)(F)F)C=C1O
InChIInChI=1S/C8H10F3NO2/c1-4-6(13)2-5(3-12-4)7(14)8(9,10)11/h2-4,7,12-14H,1H3
InChIKeyDYFYVMBBZLBMCD-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.23
Rot. Bonds1

About 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol

2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol (PubChem CID 141299344) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol
PubChem CID141299344
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol
SMILESCC1NC=C(C(O)C(F)(F)F)C=C1O
InChIInChI=1S/C8H10F3NO2/c1-4-6(13)2-5(3-12-4)7(14)8(9,10)11/h2-4,7,12-14H,1H3
InChIKeyDYFYVMBBZLBMCD-UHFFFAOYSA-N
XLogP1.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-[difluoro(iodo)methyl]-5-methyl-1,2-dihydropyridin-2-yl]methanol
CID 163706438
Ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
CID 164602682
3,3,3-Trifluoro-1-(5-methyl-1,2-dihydropyridin-2-yl)propan-1-ol
CID 169697351
2,2,2-Trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)ethanol
CID 172251093
2,2,2-Trifluoro-1-(4-methyl-5-propyl-1,2-dihydropyridin-2-yl)ethanol
CID 172251308
1-(1,2-Dihydropyridin-5-yl)-2,2,2-trifluoroethanol
CID 173652889
4,5-Bis(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
CID 5260256
5-(Hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol
CID 19368202
5-(Hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol;hydrochloride
CID 69478925
5-(Hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol
CID 70473481
5-(Hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
CID 173195912
5-(Hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-1-ium-3-ol
CID 173412444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol (CID 141299344) is 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol is CC1NC=C(C(O)C(F)(F)F)C=C1O.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol?
The InChIKey is DYFYVMBBZLBMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-4-6(13)2-5(3-12-4)7(14)8(9,10)11/h2-4,7,12-14H,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol?
2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol has a molecular weight of 209.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 141299344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).